[4-[methyl(phenethyl)amino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[methyl(phenethyl)amino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [1-hydroxy-4-[methyl(phenethyl)amino]-1-phosphono-butyl]phosphonic acid CAS Name: [1-hydroxy-4-[methyl(phenethyl)amino]-1-phosphonobutyl]phosphonic acid IUPAC Name: [1-hydroxy-4-[methyl(phenethyl)amino]-1-phosphonobutyl]phosphonic acid Traditional Name: [1-hydroxy-4-[methyl(phenethyl)amino]-1-phosphono-butyl]phosphonic acid Formula: C13H23NO7P2 MolecularWeight: 367.271742

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(O)(P(=O)(O)O)P(=O)(O)O)CCC1=CC=CC=C1

Isomeric SMILES

CN(CCCC(O)(P(=O)(O)O)P(=O)(O)O)CCC1=CC=CC=C1

InChI

InChI=1S/C13H23NO7P2/c1-14(11-8-12-6-3-2-4-7-12)10-5-9-13(15,22(16,17)18)23(19,20)21/h2-4,6-7,15H,5,8-11H2,1H3,(H2,16,17,18)(H2,19,20,21)